2-methylsulfanyl-6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-methylsulfanyl-6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-methylsulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-(methylthio)-6-oxo-3-phenyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-methylsulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-(methylthio)-3-phenyl-pyrimidin-4-olate Formula: C18H15N2O2S- MolecularWeight: 323.3889

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S/c1-23-18-19-16(21)15(12-13-8-4-2-5-9-13)17(22)20(18)14-10-6-3-7-11-14/h2-11,22H,12H2,1H3/p-1